Basic information
- Standard SMILES
O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CCN(CCO)CC2)nc1- InChIKey
MWWNXDAFNVOEJU-UHFFFAOYSA-N- Molecular formula
- C28H28ClN5O3
- Average molar mass
- 518 g/mol
- Monoisotopic mass
- 517.1880675
Names & identifiers
- Preferred name
- N-(7-Chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-6-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-nicotinamide
- IUPAC
- N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide
Names & synonyms
CHEMBL3679503SCHEMBL14576060MWWNXDAFNVOEJU-UHFFFAOYSA-NBDBM100523US8501732, I-83N-(7-Chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-6-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-nicotinamide
Database identifiers
- PubChem CID
- 71208762
- ChEMBL
CHEMBL3679503
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 827
Related reactions
2 records
Compound notes
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